2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine

C15H13F5N2O4S — CID 18620457

IUPAC2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
SMILESCOc1cc(OCCSC(F)(F)F)nc(Oc2ccnc(OC(F)F)c2)c1
InChIInChI=1S/C15H13F5N2O4S/c1-23-10-7-12(24-4-5-27-15(18,19)20)22-13(8-10)25-9-2-3-21-11(6-9)26-14(16)17/h2-3,6-8,14H,4-5H2,1H3
InChIKeyQBZZKOVVIGUVJM-UHFFFAOYSA-N
MW412.34 g/mol
LogP4.51
Rot. Bonds9

About 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine

2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine (PubChem CID 18620457) has the molecular formula C15H13F5N2O4S and a molecular weight of 412.34 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
PubChem CID18620457
Molecular FormulaC15H13F5N2O4S
Molecular Weight412.34 g/mol
Exact Mass412.05
IUPAC Name2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
SMILESCOc1cc(OCCSC(F)(F)F)nc(Oc2ccnc(OC(F)F)c2)c1
InChIInChI=1S/C15H13F5N2O4S/c1-23-10-7-12(24-4-5-27-15(18,19)20)22-13(8-10)25-9-2-3-21-11(6-9)26-14(16)17/h2-3,6-8,14H,4-5H2,1H3
InChIKeyQBZZKOVVIGUVJM-UHFFFAOYSA-N
XLogP4.51
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
CID 18620460
2-(difluoromethoxy)-4-phenylmethoxypyridine
CID 18994132
4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine
CID 91278381
4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 155716665
2-butoxy-4-methoxypyridine
CID 151566668
2-methoxy-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine
CID 70661167
2-(difluoromethoxy)-4-methylpyridine;ethane
CID 157031932
N-[[5-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116614941
3,5-dimethoxy-4-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
CID 116616040
[4-(difluoromethoxy)-2-pyridinyl]methanamine
CID 130046959
1-[4-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylmethanamine
CID 116615036
3-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline
CID 141062795

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine?
The IUPAC name of 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine (CID 18620457) is 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine?
The canonical SMILES for 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine is COc1cc(OCCSC(F)(F)F)nc(Oc2ccnc(OC(F)F)c2)c1.
What is the InChIKey of 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine?
The InChIKey is QBZZKOVVIGUVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N2O4S/c1-23-10-7-12(24-4-5-27-15(18,19)20)22-13(8-10)25-9-2-3-21-11(6-9)26-14(16)17/h2-3,6-8,14H,4-5H2,1H3.
What are the key properties of 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine?
2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine has a molecular weight of 412.34 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine is sourced from PubChem (CID 18620457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).